4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide

C9H18N2O3 — CID 66240011

IUPAC4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
SMILESCCC(CO)NC(=O)C1COCC1N
InChIInChI=1S/C9H18N2O3/c1-2-6(3-12)11-9(13)7-4-14-5-8(7)10/h6-8,12H,2-5,10H2,1H3,(H,11,13)
InChIKeyHJMJWROKJJCHCO-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.15
Rot. Bonds4

About 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide

4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide (PubChem CID 66240011) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
PubChem CID66240011
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
SMILESCCC(CO)NC(=O)C1COCC1N
InChIInChI=1S/C9H18N2O3/c1-2-6(3-12)11-9(13)7-4-14-5-8(7)10/h6-8,12H,2-5,10H2,1H3,(H,11,13)
InChIKeyHJMJWROKJJCHCO-UHFFFAOYSA-N
XLogP-1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66257493
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
CID 107863151
4-amino-N-(1-cyclohexylpropyl)oxolane-3-carboxamide
CID 66237697
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 107221301
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66237262
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
CID 66238292
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide (CID 66240011) is 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide is CCC(CO)NC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
The InChIKey is HJMJWROKJJCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-6(3-12)11-9(13)7-4-14-5-8(7)10/h6-8,12H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66240011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).